Hydrogen Bonding Interactions and Dynamics: Advanced Experimental and Theoretical Methods

FOCUS · M25 · ID: 2154562

Presentations

  • ORAL · Invited

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    Publication: M. T. Huynh, S. J. Mora, M. Villalba, M. E. Tejeda-Ferrari, P. A. Liddell, B. R. Cherry, A.-L. Teillout, C. W. Machan, C. P. Kubiak, D. Gust, T. A. Moore, S. Hammes-Schiffer, and A. L. Moore, "Concerted one-electron two-proton transfer processes in models inspired by the Tyr-His couple of photosystem II," ACS Cent. Sci. 3, 372-380 (2017).
    G. A. Parada, Z. K. Goldsmith, S. Kolmar, B. P. Rimgard, B. Q. Mercado, L. Hammarström, S. Hammes-Schiffer, and J. M. Mayer, "Concerted proton-electron transfer reactions in the Marcus inverted region," Science 364, 471-475 (2019).
    J. J. Goings and S. Hammes-Schiffer, "Nonequilibrium dynamics of proton-coupled electron transfer in proton wires: Concerted but asynchronous mechanisms," ACS Cent. Sci. 6, 1594-1601 (2020).
    B. P. Rimgard, Z. Tao, G. A. Parada, L. F. Cotter, S. Hammes-Schiffer, J. M. Mayer, and L. Hammarström, "Proton-coupled energy transfer in molecular triads," Science 377, 742-747 (2022).

    Presenters

    • Sharon Hammes-Schiffer

      • Princeton University

    Authors

    • Sharon Hammes-Schiffer

      • Princeton University

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  • ORAL

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    Publication: Investigating Intramolecular H Atom Transfer Dynamics in β-diketones with Ultrafast Infrared Spectroscopies and Theoretical Modeling"
    JPCA, submitted.

    Presenters

    • Valerie Winkler

      • Washington University in Saint Louis

    Authors

    • Valerie Winkler

      • Washington University in Saint Louis

    • Jessika Dean

      • Washington University in Saint Louis

    • Mark Boyer

      • University of Wisconsin - Madison
      • University of Wisconsin
      • University of Wisconsin-Madison

    • Edwin Sibert

      • University of Wisconsin - Madison
      • University of Wisconsin
      • University of Wisconsin-Madison

    • Joseph Fournier

      • Washington University in Saint Louis

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  • ORAL

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    Publication: 1. Eve Kozari, Mark Sigalov, Dina Pines, Benjamin P. Fingerhut, and Ehud Pines, Infrared and NMR spectroscopic fingerprints of the asymmetric H7+O3 complex in solution, ChemPhysChem 2021, 22, 716 –725 Article doi.org/10.1002/cphc.202001046
    Front Cover DOI: 10.1002/cphc.202100230

    2. Maria Ekimova, Carlo Kleine, Jan Ludwig, Miguel Ochmann, Thomas E. G. Agrenius, Eve Kozari, Dina Pines, Ehud Pines, Nils Huse, Philippe Wernet, Michael Odelius, Erik T. J. Nibbering, From Local Covalent Bonding to Extended Electric Field Interactions in Proton Hydration
    Angewandte Chemie International Edition 61 (46), e202211066 (2022).
    DOI: 10.1002/anie.202211066

    3. Eve Kozari, Mark Sigalov, Dina Pines, Prof. Ehud Pines, Nature of the hydrated proton and formation constants of protonated water clusters in acetonitrile, to be submitted.

    Presenters

    • Ehud Pines

      • Ben-Gurion University of the Negev

    Authors

    • Ehud Pines

      • Ben-Gurion University of the Negev

    • Dina Pines

      • Ben-Gurion University of the Negev

    • Eve Kozari

      • Ben-Gurion University of the Negev

    View abstract →